N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

C19H26N6O — CID 3091826

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H26N6O/c1-3-24(4-2)17-7-5-16(6-8-17)14-22-23-18-13-19(21-15-20-18)25-9-11-26-12-10-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,23)
InChIKeyRFYJJRPCWMXPJP-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.61
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 3091826) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID3091826
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H26N6O/c1-3-24(4-2)17-7-5-16(6-8-17)14-22-23-18-13-19(21-15-20-18)25-9-11-26-12-10-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,23)
InChIKeyRFYJJRPCWMXPJP-UHFFFAOYSA-N
XLogP2.61
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 2850296
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5379195
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
CID 5332817

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (CID 3091826) is N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is CCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RFYJJRPCWMXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-24(4-2)17-7-5-16(6-8-17)14-22-23-18-13-19(21-15-20-18)25-9-11-26-12-10-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3091826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).